ethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate

C9H11N3O2 — CID 146771474

IUPACethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1ccnc(C=CN)n1
InChIInChI=1S/C9H11N3O2/c1-2-14-9(13)7-4-6-11-8(12-7)3-5-10/h3-6H,2,10H2,1H3
InChIKeyBXFWSGZSGPWAMT-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.58
Rot. Bonds3

About ethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate

ethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate (PubChem CID 146771474) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is ethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate
PubChem CID146771474
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Nameethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1ccnc(C=CN)n1
InChIInChI=1S/C9H11N3O2/c1-2-14-9(13)7-4-6-11-8(12-7)3-5-10/h3-6H,2,10H2,1H3
InChIKeyBXFWSGZSGPWAMT-UHFFFAOYSA-N
XLogP0.58
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(propylsulfanylmethyl)pyrimidine-4-carboxylate
CID 165444496
ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate
CID 114204873
ethyl pyridine-2-carboxylate
CID 17307
ethyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311482
ethyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]pyrimidine-4-carboxylate
CID 174475566
ethyl 2-(5-bromo-2-methylphenyl)pyrimidine-4-carboxylate
CID 112751700
ethyl imidazo[1,2-a]pyrimidine-7-carboxylate
CID 51358225
ethyl quinoxaline-2-carboxylate
CID 582701
ethyl 2-(3-methoxyphenyl)pyrimidine-4-carboxylate
CID 113341045
ethyl 6-amino-5-hydroxypyridine-2-carboxylate
CID 126988656
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
ethyl 6-methyl-5-(2-methylprop-1-enyl)pyridine-2-carboxylate
CID 67026997

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate (CID 146771474) is ethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate is CCOC(=O)c1ccnc(C=CN)n1.
What is the InChIKey of ethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate?
The InChIKey is BXFWSGZSGPWAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-2-14-9(13)7-4-6-11-8(12-7)3-5-10/h3-6H,2,10H2,1H3.
What are the key properties of ethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate?
ethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate has a molecular weight of 193.21 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 146771474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).